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New updates for molecular docking and visualization

Molegro Virtual Docker 5.5 released.

A new ‘Energy Maps’ tool provides volumetric visualization of protein force fields. This makes it possible to understand why a compound interacts with a given receptor, and may provide insights on how to improve the binding.

We also added a new execution mode in the Docking Wizard: ‘Run Docking in Multiple Processes’. This makes it possible to run medium sized jobs on a local machine, while utilizing multiple CPU cores and even multiple GPU graphics cards. For large jobs on multiple machines, Molegro Virtual Grid should still be used.

The ray-tracer has been improved to more closely match the live 3D view output. This makes it possible to create high resolution renderings of the 3D view.